Geometry & MOs

Info

ID:	379668
PubChem CID:	134455443
Reduced:	ClSN4O4C21H25 (1)
Stoich.:	ABC4D4E21F25 (1)
Weight, g/mol:	517.200842
ΔH_f, kcal/mol:	-114.22
Dipole, Da:	7.21
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCCCO3)N=C(C=C2NC4=C(C=C(C=C4)COC)S(=O)(=O)C)Cl

DOS

IR

Vibrations